2-(4-phenylphenyl)hexan-1-amine

C18H23N — CID 121467477

IUPAC2-(4-phenylphenyl)hexan-1-amine
SMILESCCCCC(CN)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-2-3-7-18(14-19)17-12-10-16(11-13-17)15-8-5-4-6-9-15/h4-6,8-13,18H,2-3,7,14,19H2,1H3
InChIKeySXTQRMREQKYAJD-UHFFFAOYSA-N
MW253.39 g/mol
LogP4.59
Rot. Bonds6

About 2-(4-phenylphenyl)hexan-1-amine

2-(4-phenylphenyl)hexan-1-amine (PubChem CID 121467477) has the molecular formula C18H23N and a molecular weight of 253.39 g/mol. Its IUPAC name is 2-(4-phenylphenyl)hexan-1-amine.

Molecular Properties

Compound Name2-(4-phenylphenyl)hexan-1-amine
PubChem CID121467477
Molecular FormulaC18H23N
Molecular Weight253.39 g/mol
Exact Mass253.18
IUPAC Name2-(4-phenylphenyl)hexan-1-amine
SMILESCCCCC(CN)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H23N/c1-2-3-7-18(14-19)17-12-10-16(11-13-17)15-8-5-4-6-9-15/h4-6,8-13,18H,2-3,7,14,19H2,1H3
InChIKeySXTQRMREQKYAJD-UHFFFAOYSA-N
XLogP4.59
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenylundecan-1-amine
CID 57256894
2-(4-fluorophenyl)hexan-1-amine
CID 79442321
2-phenylpentan-1-amine
CID 14321247
1-hexan-2-yl-4-phenylbenzene
CID 57161678
10-phenyltetradecan-5-ylbenzene
CID 22891787
1-(1-chloropentyl)-4-phenylbenzene
CID 63429246
2-(4-fluorophenyl)heptan-1-amine
CID 79442393
2-phenylpentane-1,5-diamine
CID 22770284
4-butoxy-2-phenylbutan-1-amine
CID 65429103
2-(4-chlorophenyl)dodecan-1-amine
CID 79441361
heptan-3-ylbenzene;methane
CID 159006232
(1-pentyl-3-phenylheptyl)benzene
CID 154153436

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylphenyl)hexan-1-amine?
The IUPAC name of 2-(4-phenylphenyl)hexan-1-amine (CID 121467477) is 2-(4-phenylphenyl)hexan-1-amine.
What is the SMILES notation for 2-(4-phenylphenyl)hexan-1-amine?
The canonical SMILES for 2-(4-phenylphenyl)hexan-1-amine is CCCCC(CN)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 2-(4-phenylphenyl)hexan-1-amine?
The InChIKey is SXTQRMREQKYAJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N/c1-2-3-7-18(14-19)17-12-10-16(11-13-17)15-8-5-4-6-9-15/h4-6,8-13,18H,2-3,7,14,19H2,1H3.
What are the key properties of 2-(4-phenylphenyl)hexan-1-amine?
2-(4-phenylphenyl)hexan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylphenyl)hexan-1-amine is sourced from PubChem (CID 121467477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).